2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane

C71H144N6 — CID 158505847

IUPAC2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane
SMILESC.C.CC(C)C1C2CC2CN1C(C)C.CC(C)C1C2CCC(C2)N1C(C)C.CC(C)C1C2CCC(CC2)N1C(C)C.CC(C)C1CC2(CC2)CN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCN1C(C)C
InChIInChI=1S/C13H25N.2C12H23N.C11H21N.C11H23N.C10H21N.2CH4/c1-9(2)13-11-5-7-12(8-6-11)14(13)10(3)4;1-9(2)11-7-12(5-6-12)8-13(11)10(3)4;1-8(2)12-10-5-6-11(7-10)13(12)9(3)4;1-7(2)11-10-5-9(10)6-12(11)8(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-6-5-7-11(10)9(3)4;;/h9-13H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;8-12H,5-7H2,1-4H3;7-11H,5-6H2,1-4H3;9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;2*1H4
InChIKeyHKLNDDGMFQGETH-UHFFFAOYSA-N
MW1081.97 g/mol
LogP18.17
Rot. Bonds12

About 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane

2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane (PubChem CID 158505847) has the molecular formula C71H144N6 and a molecular weight of 1081.97 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane
PubChem CID158505847
Molecular FormulaC71H144N6
Molecular Weight1081.97 g/mol
Exact Mass1081.15
IUPAC Name2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane
SMILESC.C.CC(C)C1C2CC2CN1C(C)C.CC(C)C1C2CCC(C2)N1C(C)C.CC(C)C1C2CCC(CC2)N1C(C)C.CC(C)C1CC2(CC2)CN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCN1C(C)C
InChIInChI=1S/C13H25N.2C12H23N.C11H21N.C11H23N.C10H21N.2CH4/c1-9(2)13-11-5-7-12(8-6-11)14(13)10(3)4;1-9(2)11-7-12(5-6-12)8-13(11)10(3)4;1-8(2)12-10-5-6-11(7-10)13(12)9(3)4;1-7(2)11-10-5-9(10)6-12(11)8(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-6-5-7-11(10)9(3)4;;/h9-13H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;8-12H,5-7H2,1-4H3;7-11H,5-6H2,1-4H3;9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;2*1H4
InChIKeyHKLNDDGMFQGETH-UHFFFAOYSA-N
XLogP18.17
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001081.97
LogP ≤ 518.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane?
The IUPAC name of 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane (CID 158505847) is 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane.
What is the SMILES notation for 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane?
The canonical SMILES for 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane is C.C.CC(C)C1C2CC2CN1C(C)C.CC(C)C1C2CCC(C2)N1C(C)C.CC(C)C1C2CCC(CC2)N1C(C)C.CC(C)C1CC2(CC2)CN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCN1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane?
The InChIKey is HKLNDDGMFQGETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.2C12H23N.C11H21N.C11H23N.C10H21N.2CH4/c1-9(2)13-11-5-7-12(8-6-11)14(13)10(3)4;1-9(2)11-7-12(5-6-12)8-13(11)10(3)4;1-8(2)12-10-5-6-11(7-10)13(12)9(3)4;1-7(2)11-10-5-9(10)6-12(11)8(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-6-5-7-11(10)9(3)4;;/h9-13H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;8-12H,5-7H2,1-4H3;7-11H,5-6H2,1-4H3;9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;2*1H4.
What are the key properties of 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane?
2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane has a molecular weight of 1081.97 g/mol, XLogP of 18.17, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane;2,3-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;2,3-di(propan-2-yl)-2-azabicyclo[2.2.2]octane;5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane;1,2-di(propan-2-yl)piperidine;1,2-di(propan-2-yl)pyrrolidine;methane is sourced from PubChem (CID 158505847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).